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4-coumarate

PropertiesImage
MNX_IDMNXM1370020 Image of MNXM1370020
referencechebi:32373
formulaC9H7O3
global charge-1
mol weight163.152
InChIKeyNGSWKAQJJWESNS-UHFFFAOYSA-M
InChIInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1
SMILESO=C([O-])C=CC1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3? Image of MNXM1370020
SMILES (mnx)[CH:1]1=[CH:4][C:8]([OH:10])=[CH:5][CH:2]=[C:7]1[CH:3]=[CH:6][C:9](=[O:11])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32373
chebi:32373
NGSWKAQJJWESNS-UHFFFAOYSA-M
4-coumarate
3-(4-hydroxyphenyl)acrylate
3-(4-hydroxyphenyl)prop-2-enoate
4-hydroxycinnamate anion
p-coumarate

sabiork.compound:5246
sabiorkM:5246
NGSWKAQJJWESNS-UHFFFAOYSA-M
4-Coumarate
4-Hydroxycinnamate
4-Hydroxycinnamic acid
p-Coumaric acid
trans-4-Hydroxycinnamate

CHEBI:36090
chebi:36090
NGSWKAQJJWESNS-UHFFFAOYSA-N
4-coumaric acid
3-(4-hydroxyphenyl)-2-propenoic acid
3-(4-hydroxyphenyl)acrylic acid
3-(4-hydroxyphenyl)prop-2-enoic acid
4'-hydroxycinnamic acid
4-hydroxycinnamic acid
beta-[4-hydroxyphenyl]acrylic acid
p-coumaric acid
p-hydroxycinnamic acid
p-hydroxyphenylacrylic acid
para-coumaric acid

envipath:...649fd8722dd0
envipathM:...649fd8722dd0
NGSWKAQJJWESNS-UHFFFAOYSA-N
compound 0062885

chebi:11978
chebi:12007
chebi:20347
chebi:20348
chebi:20405
secondary/obsolete/fantasy identifier